Komplexe Chalkogenide der IVa Metalle mit niedrigdimensionalen anionischen Partialstrukturen. Darstellung und Kristallstruktur von K2ZrTe3 und Rb2ZrTe3 / Complex Chalcogenides of the IVa Metals with Low Dimensional Anionic Partial Structures. Preparation and Crystal Structures of K2ZrTe3 and Rb2ZrTe3

1999 ◽  
Vol 54 (4) ◽  
pp. 441-446 ◽  
Author(s):  
Kurt O. Klepp ◽  
Andreas Kolb
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Alkali Cations ◽  
Space Group ◽  
Bond Lengths ◽  
Partial Structures ◽  
Distorted Octahedral ◽  
New Type ◽  
The Mean ◽  
Low Dimensional

The isostructural compounds K2ZrTe3 and Rb2ZrTe3 were obtained at 1000°C by reacting K2Te and Rb2Te with stoichiometric amounts of Zr and Te. The compounds are monoclinic, mP24, space group P21/c, Z = 4 with a = 9.089(3), b = 14.148(4), c = 6.986(3) Å, β = 105.90( 1)° and a = 9.735(4), b = 14.300(7), c = 6.952(8) Å, β = 108.61(2)°, respectively. The crystal structure was determined from diffractometer data and refined to R = 0.030 for 1452 Fo's for K2ZrTe3 and R = 0.038 for 1131 Fo's for Rb2ZrTe3. The crystal structure is of a new type, characterized by infinite anionic chains, 1∞-[ZrTe3]2- built up by octahedra sharing opposite faces which run along [001]. The mean Zr-Te bond lengths are 2.921 and 2.920 Å, respectively. The alkali cations separating the chains are characterized by two different - distorted octahedral and pentagonal bipyramidal - chalcogen environments.

Darstellung und Kristallstruktur von Na4Ga2S5. Ein Thiogallat mit -Zweier-Doppelketten / Preparation and Crystal Structure of Na4Ga2S5. A Thiogallate with --zweier-Double Chains

1992 ◽  
Vol 47 (7) ◽  
pp. 937-941 ◽  
Author(s):  
Kurt O. Klepp
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Single Crystals ◽  
Monoclinic Space Group ◽  
Alkali Cations ◽  
Space Group ◽  
Distorted Octahedral ◽  
New Type

Transparent single crystals of Na4Ga2S5 were obtained from a melt of Na2S, Ga and S. Na4Ga2S5 is monoclinic, space group P21/c with a = 7.967(1), b = 6.133(2), c = 19.852(9) Å, β = 91.61(2)°, Ζ = 4. Its crystal structure was refined to a conventional R of 0.033 for 1150 observed reflections.The structure of Na4Ga2S5 is of a new type. It is characterized by infinite ribbon like thiogallate anions, -, which are built up by GaS4-tetrahedra (mean Ga-S bond length 2.28 A) sharing apices and edges. The four crystallographically independent alkali cations are coordinated to six sulphur atoms in distorted octahedral configurations.

Mono- and difunctional furan-based 1,2,3,5-dithiadiazolyl radicals; preparation and solid state structures of 2,5-[(S2N2C)OC4H2(CN2S2)] and 2,5-[(S2N2C)OC4H2(CN)]

1992 ◽  
Vol 70 (3) ◽  
pp. 919-925 ◽  
Author(s):  
A. Wallace Cordes ◽  
Charles M. Chamchoumis ◽  
Robin G. Hicks ◽  
Richard T. Oakley ◽  
Kelly M. Young ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
The Mean ◽  
Solid State Structures ◽  
Solid State Characterization

The preparation and solid state characterization of the bifunctional radical furan-2,5-bis(1,2,3,5-dithiadiazolyl) 2,5-[(S2N2C)OC4H2(CN2S2)] and the related monofunctional radical 2-cyanofuran-5-(1,2,3,5-dithiadiazolyl) 2,5-[(S2N2C)OC4H2(CN)] are described. The crystal structure of 2,5-[(S2N2C)OC4H2(CN2S2)] is orthorhombic, space group Pna21, and consists of interleaved arrays of dimers, for which the mean interannular [Formula: see text] contact is 3.137 Å. The crystal structure of the monofunctional radical 2,5-[(S2N2C)OC4H2(CN)] is monoclinic, space group P21/n, and consists of a ribbon-like network of dimers (mean interannular [Formula: see text] interconnected by close head-to-tail [Formula: see text] contacts. The dimer units form stacks parallel to z, with a mean interdimer [Formula: see text] separation of 3.956 Å. The similarities and differences between these two crystal structures and those of related benzene-substituted systems are discussed. Keywords: dithiadiazolyl radicals, furan-based diradicals, cyanofuran-based radicals, radical dimers, crystal structures.

scholarly journals Refinement of the crystal structure of a synthetic non-stoichiometric Rb-feldspar

2001 ◽  
Vol 65 (4) ◽  
pp. 523-531 ◽  
Author(s):  
A. Kyono ◽  
M. Kimata
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Deviation From Stoichiometry ◽  
The Mean ◽  
Unit Formula ◽  
Natural And Synthetic

AbstractThe crystal structure of hydrothermally synthesized Rb-feldspar (monoclinic, space group C2/m, a= 8.839(2)Å, b= 13.035(2)Å, c= 7.175(2)Å, β = 116.11(1)8, V= 742.3(3)Å3, Z= 4) has been refined to a final R of 0.0574 for 692 independent X-ray reflections. Microprobe analyses of the Rb-feldspar suggest deviation from stoichiometry, with excess Si and Al, resulting in a unit formula of Rb0.811□0.127Al1.059Si3.003O8. Infrared (IR) spectra indicate the structural occupancy of large H2O content, which implies that the □Si4O8 substitution favours the structural incorporation of the H2O molecule at the M-site. The mean T–O distances are 1.632 Å for T1 and 1.645 Å for T2, revealing highly disordered (Al,Si) distribution with Al/Si = 0.245/0.755 (T1 site) and 0.255/0.745 (T2 site).There are two geochemical implications from this refinement: (1) identification of both rubicline triclinic with (Al,Si) ordered distribution and synthetic monoclinic RbAlSi3O8 with (Al,Si) disordered distribution implies that Rb cannot be one of factors disrupting the (Al,Si) ordered and disordered distributions in feldspars; and (2) natural and synthetic feldspars capable of accommodating the large cations tend to incorporate □Si4O8, excess Al and H2O components in their crystal structures.

Synthesen und Kristallstrukturen der Lithiumphosphide {Li(DME)[P(t-Bu)2]}2 und [Li(DME)PPh2]∞ / Syntheses and Crystal Structures of the Lithium Phosphides {Li(DME)[P(t-Bu)2]}2 and [Li(DME)PPh2]∞

1993 ◽  
Vol 48 (2) ◽  
pp. 156-160 ◽  
Author(s):  
Gudrun Stieglitz ◽  
Bernhard Neumüller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Membered Ring ◽  
Space Group ◽  
Bond Lengths ◽  
Polymeric Chains ◽  
Structure Determinations ◽  
Centrosymmetric Dimers

AbstractThe title compounds have been prepared by the reaction of n-butyllithium with the corresponding diorganophosphanes HPR2 (R = t-Bu, Ph) in DME solutions. Both compounds were characterized by crystal structure determinations.{Li(DME)[P(t-Bu)2]}2: Space group P 1̄, Z = 1, 2027 observed unique reflections, R = 0.055. Lattice dimensions at -80 °C: a = 879.9(3), b = 986.3(1), c = 1064.0(2) pm, α = 70.69(1)°, β = 70.63(2)°, γ - 69.89(2)°. The compound forms centrosymmetric dimers of symmetry Ci with Li-P bond lengths of 260.0 and 257.3 pm for the Li2P2 four-membered ring.[Li(DME)PPh2]∞: Space group P21/n, Z = 4. 3437 observed unique reflections, R = 0.055. Lattice dimensions at - 80 °C: a = 1034.8(2), b = 812.48(9), c = 1978.4(3) pm, β = 103.30(2)°. The compound forms polymeric chains via LiP bridges with Li-P bond lengths o f 256.3 and 254.1 pm.

The Crystal Structure of (2,2′-Bipyridine)(pyrazine)(2,2′:6′,2″-terpyridine)ruthenium(II) Hexafluorophosphate

1996 ◽  
Vol 49 (4) ◽  
pp. 527 ◽  
Author(s):  
PT Gulyas ◽  
TW Hambley ◽  
PA Lay
Keyword(s):  
Crystal Structure ◽  
Monoclinic Space Group ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
Steric Strain ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Back Bonding

The crystal structure of [ Ru ( terpy )( bpy )( pz )] (PF6)2 has been determined by X-ray diffraction methods and refined to a residual of 0.046 for 1855 independent observed reflections. The crystals are monoclinic, space group P 21/a, a 16.836(7), b 10.778(5), c l9.342(5) Ǻ, β 115.11(3)°. The coordination geometry around the ruthenium(II) ion is distorted octahedral, with the various Ru -N bond lengths indicative of considerable interligand steric strain. The Ru -N pyrazine bond is the longest within the structure, consistent with other evidence that n back-bonding to pyrazine is weak in the complex.

Darstellung und Kristallstruktur von Na4GeSe4: Ein neues ortho-Selenogermanat(IV)

1985 ◽  
Vol 40 (7) ◽  
pp. 878-882 ◽  
Author(s):  
Kurt O. Klepp
Keyword(s):  
Crystal Structure ◽  
Orthorhombic Structure ◽  
Tetrahedral Geometry ◽  
Space Group ◽  
Bond Lengths ◽  
Structure Space ◽  
Mixed Cation ◽  
The Mean

Abstract Na4GeSe4 was obtained from a stoichiometric melt of Na2Se, Ge and Se at 750 °C. It crystallizes with a new orthorhombic structure, space group Pnma, with a = 28.518(8), b - 9.447(5), c = 7.128(2) Å , Z = 8. The crystal structure was refined to a conventional R of 0.074 for 1236 reflections with I > 3 σ (I) (diffractometer data). It is characterized by discrete GeSe44--anions with almost regular tetrahedral geometry. Two independent anions appear in the structure, the mean Ge - Se-bond lengths are 2.345 and 2.353 Å, resp. The Na+-ions are coordinated to 4 -6 chalcogen atoms in the range 2.88-3.28 Å. The structure is composed of mixed cation-anion-slabs, 2∞ [Na2(GeSe4)2-], which run parallel to the bc-plane and are separated from each other by corrugated 36-layers of Na+-ions.

Synthese, Struktur und Eigenschaften der Nonachloroditellur(IV)- und Tetrachlorohydroxotellur(IV)säure-Hydrate. Kristallstrukturen der Oxonium-Salze [H9O4]n[Te2Cl9]n und [H9O4][TeCl4OH ] · H2O/Synthesis, Structure and Properties of Nonachloroditellurous and Tetrachlorohydroxotellurous Acid Hydrates. Crystal Structures of the Oxonium Salts [H9O4]n[Te2Cl9]n und [H9O4][TeCl4OH ] · H2O

1992 ◽  
Vol 47 (1) ◽  
pp. 93-103 ◽  
Author(s):  
Bernt Krebs ◽  
Stefan Bonmann ◽  
Klaus Gretenkord
Keyword(s):  
Crystal Structures ◽  
Raman Spectra ◽  
The Novel ◽  
Structure And Properties ◽  
Apical Position ◽  
Space Group ◽  
Light Yellow ◽  
Distorted Octahedral ◽  
The Mean ◽  
Polymeric Anion

Light yellow needles of crystalline nonachloroditellurous acid with the formal composition HTe2Cl9 · 4H2O (1) (space group C2/c, a = 11.642(6), b = 13.012(4), c = 12.663(5) Å, β = 119.64(3)° at 140 K) were isolated from a saturated solution of TeCl4 in conc. HCl. From a solution of more diluted HCl the acid HTeCl4OH · 5H2O (2) could be prepared (space group P212121, a = 7.065(3), b = 8.551(2), c = 18.192(6)Å at 140 K). 1 is the first acid isolated from the system TeCl4 /HCl/H2O with a polymeric anion. The novel polynuclear [Te2Cl9]nn- chains are built from alternately corner-sharing and edge-sharing distorted octahedral TeCl6 units. The mean bond distances are 2.356 Å for terminal Te-Cl and 2.805 Å for Te-μ2Cl. 2 contains square-pyramidal [TeCl4OH]- anions with oxygen in the apical position (Te-Cl: 2.447-2.552 Å; Te-O: 1.926 Å). The cations in both structures are [H9O4]+ hydroxonium ions (O···O (1): 2.47(3), 2.55(2) and 2.57(1) Å; O···O (2): 2.550(4), 2.584(4) and 2.588(5) Å). Thus the formulae of the acids have to be written as [H9O4]n[Te2Cl9]n and [H9O4][TeCl4OH] · H2O. Raman spectra of both compounds are reported.

The crystal structure of p-diethylaminobenzenediazonium hexafluorophosphate

1985 ◽  
Vol 63 (2) ◽  
pp. 332-335 ◽  
Author(s):  
Richard G. Ball ◽  
Richard MacLeod Elofson
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Triple Bond ◽  
Direct Methods ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths ◽  
The Mean ◽  
Least Squares Techniques ◽  
Diazo Group

p-Diethylaminobenzenediazonium hexafluorophosphate, C10H14N3+•PF6−, crystallized in space group [Formula: see text] with a = 12.105(4), b = 12.340(5), c = 10.439(4) Å, α = 96.53(3), β = 104.11(3), γ = 64.44(3)°, and Z = 4. The structure was solved using direct methods and refined with full-matrix least-squares techniques on F, to a final R of 0.054 for 1917 reflections with F2 > 3σ(F2). The mean bond lengths for the diazo group are: N—N 1.096(6); C—N 1.357(7) Å. The geometry of the molecule is discussed in terms of the possible resonance forms and it is shown to be consistent with a form in which the N—N triple bond is essentially intact and the aminobenzene moiety has "quinoidal" character.

Preparation and Crystal Structure of Na4TiSe4. A Selenotitanate with Discrete Tetrahedral Anions

2000 ◽  
Vol 55 (1) ◽  
pp. 39-44 ◽  
Author(s):  
Kurt O. Klepp
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Monoclinic Space Group ◽  
Tetrahedral Complex ◽  
Space Group ◽  
Distorted Octahedral ◽  
Intimate Mixture ◽  
New Type ◽  
Complex Anions

Red crystals of Na4TiSe4 were obtained by reacting an intimate mixture of Na2Se, Ti and Se at 750°C. Na4TiSe4 is monoclinic, space group I2/a with a = 24.027(6), b = 7.346(4), c = 21.572(6) Å, (β = 104.52(2)°, Z = 16. Its crystal structure was determined from diffractometer data (AgK α-radiation) and refined to a conventional R of 0.036 for 2673 F0′s and 158 variables. The crystal structure is of a new type, characterized by the presence of discrete tetrahedral complex anions, [TiSe4]4- , which are arranged in slabs parallel to (100). The average Ti-Se bond length is 2.385(1) Å. The Na+ cations are in different chalcogen environments with distorted octahedral, square pyramidal or planar configurations, respectively

Kupfer(I)-chlorid-Addukte von Phosphoraniminen Die Kristallstrukturen von Ph 3 PNPh * CuCl und von 2,3-Bis(triphenylphosphoranylidenamino)maIeinsäure-N-methylimid- Kupfer(I)-chlorid / Copper(I) Chloride Adducts of Phosphoranimines The Crystal Structures of Ph3 PNPh·CuCl and of 2,3-Bis(triphenylphosphoranylideneamino)maleic Acid N-Methylimide Copper(I) Chloride

1988 ◽  
Vol 43 (1) ◽  
pp. 5-11 ◽  
Author(s):  
Andrea Maurer ◽  
Dieter Fenske ◽  
Johannes Beck ◽  
Joachim Strähle ◽  
Eberhard Böhm ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Crystal Structures ◽  
Maleic Acid ◽  
Bond Angle ◽  
Asymmetric Unit ◽  
Space Group ◽  
Bond Lengths ◽  
Structure Determinations ◽  
Independent Molecules

Abstract The title compounds Ph3PNPh · CuCl (1) and (Ph3P)2 N2 C4O2 (NMe) CuCl (2) have been prepared by the reactions of CuCl with the corresponding phosphoranimines Ph3PNPh and 2.3-bis(triphenylphosphoranylideneamino)maleic acid N-methylimide, respectively. Both com-plexes were characterized by their IR spectra as well as by crystal structure determinations. Ph3PNPh · CuCl (1): space group P1, Z = 4, 3639 independent observed reflexions, R = 0.038. Lattice dimensions (18 °C): a = 1047.6; b = 1251.5; c = 1755 pm; α = 103.43°; β = 97.24°; γ = 101.30°. The compound forms monomeric molecules; the asymmetric unit contains two crystallo-graphically independent molecules. The CuCl molecule is bonded via the N atom of the phos-phoranimine. Bond lengths: Cu-N = 189 pm; Cu-CI = 209 pm; bond angle N - Cu - CI = 177°. (Ph3P)2N2C4O2(NMe) · CuCl (2): space group Pbca, Z = 8, 5611 independent, observed reflexions, R = 0.069. Lattice dimensions (25 °C): a = 1224.3; b = 1962.5: c = 2994.0 pm. The compound forms monomeric molecules with the CuCl molecule bonded via one of the N atoms of the phosphoranimine groups. Bond lengths: Cu - N = 194 pm; Cu-CI = 212 pm; bond angle N-Cu -CI -175°.

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